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2-(2,2-Dimethyl-1-oxobutyl)benzonitrile

2-(2,2-Dimethyl-1-oxobutyl)benzonitrile structure

CAS No:
898765-10-1
Formula:
C13H15NO
Chemical Name:
2-(2,2-Dimethyl-1-oxobutyl)benzonitrile
Synonyms:
Benzonitrile,2-(2,2-dimethyl-1-oxobutyl)-;2-(2,2-Dimethyl-1-oxobutyl)benzonitrile

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2-(2,2-Dimethyl-1-oxobutyl)benzonitrile Basic Attributes

Molecular Weight：

201.26

Exact Mass：

201.26

DSSTox ID：

DTXSID80642422

Characteristics

PSA：

40.9

XLogP3：

3.1

Computed Properties

Molecular Weight:201.26
XLogP3:3.1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:201.115364102
Monoisotopic Mass:201.115364102
Topological Polar Surface Area:40.9
Heavy Atom Count:15
Complexity:284
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-(2,2-Dimethyl-1-oxobutyl)benzonitrile

Basic Attributes
Characteristics
Computed Properties

2-(2,2-Dimethyl-1-oxobutyl)benzonitrile

SDS

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